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Compile Data Set for Download or QSAR

Found 452 hits with Last Name = 'scales' and Initial = 's'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Protein kinase C beta type


(Homo sapiens (Human))		BDBM286349
PNG
(US11220518, Ex. No. K7 | US11780853, Example K7 | ...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C)C(=O)N1Cc2c(Nc3nc(OCC(F)(F)F)ncc3F)n[nH]c2C1(C)C |r|
Show InChI InChI=1S/C21H28F4N8O2/c1-11-8-32(12(2)7-31(11)5)19(34)33-9-13-15(20(33,3)4)29-30-16(13)27-17-14(22)6-26-18(28-17)35-10-21(23,24)25/h6,11-12H,7-10H2,1-5H3,(H2,26,27,28,29,30)/t11-,12+/m1/s1
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 0.165n/an/an/an/an/an/an/an/a


TBA

Assay Description
A typical assay was carried out on a 96-well, clear microtiter plate in a Molecular Devices spectrophotometer for 20 minutes at 30° C. in 0.1 mL of a...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28S4T3T
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM286349
PNG
(US11220518, Ex. No. K7 | US11780853, Example K7 | ...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C)C(=O)N1Cc2c(Nc3nc(OCC(F)(F)F)ncc3F)n[nH]c2C1(C)C |r|
Show InChI InChI=1S/C21H28F4N8O2/c1-11-8-32(12(2)7-31(11)5)19(34)33-9-13-15(20(33,3)4)29-30-16(13)27-17-14(22)6-26-18(28-17)35-10-21(23,24)25/h6,11-12H,7-10H2,1-5H3,(H2,26,27,28,29,30)/t11-,12+/m1/s1
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 0.165n/an/an/an/an/an/a7.4n/a



PFIZER INC.

US Patent


Assay Description
Protein Kinase C beta 2 (PKCβII) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...

US Patent US9518060 (2016)


BindingDB Entry DOI: 10.7270/Q2ZK5JPN
More data for this
Ligand-Target Pair
Protein kinase C beta type Isoform 2


(Homo sapiens (Human))		BDBM286349
PNG
(US11220518, Ex. No. K7 | US11780853, Example K7 | ...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C)C(=O)N1Cc2c(Nc3nc(OCC(F)(F)F)ncc3F)n[nH]c2C1(C)C |r|
Show InChI InChI=1S/C21H28F4N8O2/c1-11-8-32(12(2)7-31(11)5)19(34)33-9-13-15(20(33,3)4)29-30-16(13)27-17-14(22)6-26-18(28-17)35-10-21(23,24)25/h6,11-12H,7-10H2,1-5H3,(H2,26,27,28,29,30)/t11-,12+/m1/s1
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 0.165n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM286350
PNG
(US11220518, Ex. No. K8 | US11780853, Example K8 | ...)
Show SMILES C[C@H]1CN(C)C(C)(C)CN1C(=O)N1Cc2c(Nc3nc(OCC(F)(F)F)ncc3F)n[nH]c2C1(C)C |r|
Show InChI InChI=1S/C22H30F4N8O2/c1-12-8-32(6)20(2,3)10-33(12)19(35)34-9-13-15(21(34,4)5)30-31-16(13)28-17-14(23)7-27-18(29-17)36-11-22(24,25)26/h7,12H,8-11H2,1-6H3,(H2,27,28,29,30,31)/t12-/m0/s1
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 0.181n/an/an/an/an/an/a7.4n/a



PFIZER INC.

US Patent


Assay Description
Protein Kinase C beta 2 (PKCβII) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...

US Patent US9518060 (2016)


BindingDB Entry DOI: 10.7270/Q2ZK5JPN
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))		BDBM286350
PNG
(US11220518, Ex. No. K8 | US11780853, Example K8 | ...)
Show SMILES C[C@H]1CN(C)C(C)(C)CN1C(=O)N1Cc2c(Nc3nc(OCC(F)(F)F)ncc3F)n[nH]c2C1(C)C |r|
Show InChI InChI=1S/C22H30F4N8O2/c1-12-8-32(6)20(2,3)10-33(12)19(35)34-9-13-15(21(34,4)5)30-31-16(13)28-17-14(23)7-27-18(29-17)36-11-22(24,25)26/h7,12H,8-11H2,1-6H3,(H2,27,28,29,30,31)/t12-/m0/s1
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 0.181n/an/an/an/an/an/an/an/a


TBA

Assay Description
A typical assay was carried out on a 96-well, clear microtiter plate in a Molecular Devices spectrophotometer for 20 minutes at 30° C. in 0.1 mL of a...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28S4T3T
More data for this
Ligand-Target Pair
Protein kinase C beta type Isoform 2


(Homo sapiens (Human))		BDBM286350
PNG
(US11220518, Ex. No. K8 | US11780853, Example K8 | ...)
Show SMILES C[C@H]1CN(C)C(C)(C)CN1C(=O)N1Cc2c(Nc3nc(OCC(F)(F)F)ncc3F)n[nH]c2C1(C)C |r|
Show InChI InChI=1S/C22H30F4N8O2/c1-12-8-32(6)20(2,3)10-33(12)19(35)34-9-13-15(21(34,4)5)30-31-16(13)28-17-14(23)7-27-18(29-17)36-11-22(24,25)26/h7,12H,8-11H2,1-6H3,(H2,27,28,29,30,31)/t12-/m0/s1
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 0.181n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM286348
PNG
(US11220518, Ex. No. K6 | US11780853, Example K6 | ...)
Show SMILES COCCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(Nc3nc(OCC(F)(F)F)ncc3F)n[nH]c2C1(C)C |r|
Show InChI InChI=1S/C24H34F4N8O3/c1-14-11-35(15(2)10-34(14)7-6-8-38-5)22(37)36-12-16-18(23(36,3)4)32-33-19(16)30-20-17(25)9-29-21(31-20)39-13-24(26,27)28/h9,14-15H,6-8,10-13H2,1-5H3,(H2,29,30,31,32,33)/t14-,15+/m1/s1
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 0.376n/an/an/an/an/an/a7.4n/a



PFIZER INC.

US Patent


Assay Description
Protein Kinase C beta 2 (PKCβII) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...

US Patent US9518060 (2016)


BindingDB Entry DOI: 10.7270/Q2ZK5JPN
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))		BDBM286348
PNG
(US11220518, Ex. No. K6 | US11780853, Example K6 | ...)
Show SMILES COCCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(Nc3nc(OCC(F)(F)F)ncc3F)n[nH]c2C1(C)C |r|
Show InChI InChI=1S/C24H34F4N8O3/c1-14-11-35(15(2)10-34(14)7-6-8-38-5)22(37)36-12-16-18(23(36,3)4)32-33-19(16)30-20-17(25)9-29-21(31-20)39-13-24(26,27)28/h9,14-15H,6-8,10-13H2,1-5H3,(H2,29,30,31,32,33)/t14-,15+/m1/s1
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 0.376n/an/an/an/an/an/an/an/a


TBA

Assay Description
A typical assay was carried out on a 96-well, clear microtiter plate in a Molecular Devices spectrophotometer for 20 minutes at 30° C. in 0.1 mL of a...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28S4T3T
More data for this
Ligand-Target Pair
Protein kinase C beta type Isoform 2


(Homo sapiens (Human))		BDBM286348
PNG
(US11220518, Ex. No. K6 | US11780853, Example K6 | ...)
Show SMILES COCCCN1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(Nc3nc(OCC(F)(F)F)ncc3F)n[nH]c2C1(C)C |r|
Show InChI InChI=1S/C24H34F4N8O3/c1-14-11-35(15(2)10-34(14)7-6-8-38-5)22(37)36-12-16-18(23(36,3)4)32-33-19(16)30-20-17(25)9-29-21(31-20)39-13-24(26,27)28/h9,14-15H,6-8,10-13H2,1-5H3,(H2,29,30,31,32,33)/t14-,15+/m1/s1
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 0.376n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM286347
PNG
(US11220518, Ex. No. K5 | US11780853, Example K5 | ...)
Show SMILES CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CCCOC)C[C@@H]2C)C3(C)C)n1 |r|
Show InChI InChI=1S/C24H37FN8O3/c1-7-36-22-26-11-18(25)21(28-22)27-20-17-14-33(24(4,5)19(17)29-30-20)23(34)32-13-15(2)31(12-16(32)3)9-8-10-35-6/h11,15-16H,7-10,12-14H2,1-6H3,(H2,26,27,28,29,30)/t15-,16+/m1/s1
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 0.683n/an/an/an/an/an/a7.4n/a



PFIZER INC.

US Patent


Assay Description
Protein Kinase C beta 2 (PKCβII) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...

US Patent US9518060 (2016)


BindingDB Entry DOI: 10.7270/Q2ZK5JPN
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))		BDBM286347
PNG
(US11220518, Ex. No. K5 | US11780853, Example K5 | ...)
Show SMILES CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CCCOC)C[C@@H]2C)C3(C)C)n1 |r|
Show InChI InChI=1S/C24H37FN8O3/c1-7-36-22-26-11-18(25)21(28-22)27-20-17-14-33(24(4,5)19(17)29-30-20)23(34)32-13-15(2)31(12-16(32)3)9-8-10-35-6/h11,15-16H,7-10,12-14H2,1-6H3,(H2,26,27,28,29,30)/t15-,16+/m1/s1
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 0.683n/an/an/an/an/an/an/an/a


TBA

Assay Description
A typical assay was carried out on a 96-well, clear microtiter plate in a Molecular Devices spectrophotometer for 20 minutes at 30° C. in 0.1 mL of a...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28S4T3T
More data for this
Ligand-Target Pair
Protein kinase C beta type Isoform 2


(Homo sapiens (Human))		BDBM286347
PNG
(US11220518, Ex. No. K5 | US11780853, Example K5 | ...)
Show SMILES CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CCCOC)C[C@@H]2C)C3(C)C)n1 |r|
Show InChI InChI=1S/C24H37FN8O3/c1-7-36-22-26-11-18(25)21(28-22)27-20-17-14-33(24(4,5)19(17)29-30-20)23(34)32-13-15(2)31(12-16(32)3)9-8-10-35-6/h11,15-16H,7-10,12-14H2,1-6H3,(H2,26,27,28,29,30)/t15-,16+/m1/s1
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 0.683n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))		BDBM50193709
PNG
(CHEMBL3911017)
Show SMILES Cc1noc(C)c1-c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl |(59.06,-26.01,;58.74,-27.52,;59.77,-28.66,;59,-30,;57.5,-29.68,;56.35,-30.71,;57.33,-28.15,;55.99,-27.38,;54.66,-28.14,;53.34,-27.37,;52.01,-28.14,;53.35,-25.85,;52.02,-25.09,;52.02,-23.55,;53.35,-22.77,;53.35,-21.23,;52.02,-20.46,;52.02,-18.92,;53.36,-18.16,;50.7,-18.15,;49.36,-18.92,;48.03,-18.14,;49.35,-20.46,;50.69,-21.24,;50.69,-22.78,;54.68,-23.55,;56.01,-22.79,;54.68,-25.09,;55.99,-25.86,;57.33,-25.09,)|
Show InChI InChI=1S/C22H21Cl2N3O3/c1-10-7-11(2)25-21(28)16(10)9-27-6-5-14-17(23)8-15(20(24)19(14)22(27)29)18-12(3)26-30-13(18)4/h7-8H,5-6,9H2,1-4H3,(H,25,28)
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 0.700n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild-type EZH2 (unknown origin) expressed in baculovirus infected SF9 cells co-expressing SUZ12/EED/RbAp48 complex using HeLa cells der...

J Med Chem 59: 8306-25 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00515
BindingDB Entry DOI: 10.7270/Q2J1053B
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM286345
PNG
(US11220518, Ex. No. K3 | US11780853, Example K3 | ...)
Show SMILES CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(C)(C)N(C)C[C@@H]2C)C3(C)C)n1 |r|
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 0.912n/an/an/an/an/an/a7.4n/a



PFIZER INC.

US Patent


Assay Description
Protein Kinase C beta 2 (PKCβII) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...

US Patent US9518060 (2016)


BindingDB Entry DOI: 10.7270/Q2ZK5JPN
More data for this
Ligand-Target Pair
Protein kinase C beta type Isoform 2


(Homo sapiens (Human))		BDBM286345
PNG
(US11220518, Ex. No. K3 | US11780853, Example K3 | ...)
Show SMILES CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(C)(C)N(C)C[C@@H]2C)C3(C)C)n1 |r|
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 0.912n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))		BDBM286345
PNG
(US11220518, Ex. No. K3 | US11780853, Example K3 | ...)
Show SMILES CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(C)(C)N(C)C[C@@H]2C)C3(C)C)n1 |r|
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 0.912n/an/an/an/an/an/an/an/a


TBA

Assay Description
A typical assay was carried out on a 96-well, clear microtiter plate in a Molecular Devices spectrophotometer for 20 minutes at 30° C. in 0.1 mL of a...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28S4T3T
More data for this
Ligand-Target Pair
Protein kinase C beta type Isoform 2


(Homo sapiens (Human))		BDBM286246
PNG
(5-{[(8S)-6,8-dimethyl-6,9-diazaspiro[4.5]dec-9-yl]...)
Show SMILES C[C@H]1CN(C)C2(CCCC2)CN1C(=O)N1Cc2c(Nc3nc(C)ncc3F)n[nH]c2C1(C)C |r|
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 1.01n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))		BDBM286246
PNG
(5-{[(8S)-6,8-dimethyl-6,9-diazaspiro[4.5]dec-9-yl]...)
Show SMILES C[C@H]1CN(C)C2(CCCC2)CN1C(=O)N1Cc2c(Nc3nc(C)ncc3F)n[nH]c2C1(C)C |r|
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 1.01n/an/an/an/an/an/an/an/a


TBA

Assay Description
A typical assay was carried out on a 96-well, clear microtiter plate in a Molecular Devices spectrophotometer for 20 minutes at 30° C. in 0.1 mL of a...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28S4T3T
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM286246
PNG
(5-{[(8S)-6,8-dimethyl-6,9-diazaspiro[4.5]dec-9-yl]...)
Show SMILES C[C@H]1CN(C)C2(CCCC2)CN1C(=O)N1Cc2c(Nc3nc(C)ncc3F)n[nH]c2C1(C)C |r|
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 1.01n/an/an/an/an/an/a7.4n/a



PFIZER INC.

US Patent


Assay Description
Protein Kinase C beta 2 (PKCβII) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...

US Patent US9518060 (2016)


BindingDB Entry DOI: 10.7270/Q2ZK5JPN
More data for this
Ligand-Target Pair
Protein kinase C beta type Isoform 2


(Homo sapiens (Human))		BDBM533472
PNG
(US11220518, Ex. No. K1 | US11780853, Example K1)
Show SMILES CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)C3(C)C)n1 |r|
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 1.12n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM286343
PNG
(N-(2-ethoxy-5-fluoropyrimidin-4-yl)-6,6-dimethyl-5...)
Show SMILES CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(C)CC2C)C3(C)C)n1 |r|
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 1.12n/an/an/an/an/an/a7.4n/a



PFIZER INC.

US Patent


Assay Description
Protein Kinase C beta 2 (PKCβII) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...

US Patent US9518060 (2016)


BindingDB Entry DOI: 10.7270/Q2ZK5JPN
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))		BDBM533472
PNG
(US11220518, Ex. No. K1 | US11780853, Example K1)
Show SMILES CCOc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)C3(C)C)n1 |r|
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 1.12n/an/an/an/an/an/an/an/a


TBA

Assay Description
A typical assay was carried out on a 96-well, clear microtiter plate in a Molecular Devices spectrophotometer for 20 minutes at 30° C. in 0.1 mL of a...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28S4T3T
More data for this
Ligand-Target Pair
Protein kinase C beta type Isoform 2


(Homo sapiens (Human))		BDBM533459
PNG
(US11220518, Ex. No. J6 | US11780853, Example J6)
Show SMILES C[C@H]1CN(C)C(C)(C)CN1C(=O)N1Cc2c(Nc3nc(C)ccc3F)n[nH]c2C1(C)C |r|
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 1.17n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM286320
PNG
(US9518060, Example J6)
Show SMILES C[C@H]1CC(C)C(C)(C)CN1C(=O)N1Cc2c(Nc3nc(C)ccc3F)n[nH]c2C1(C)C |r|
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 1.17n/an/an/an/an/an/a7.4n/a



PFIZER INC.

US Patent


Assay Description
Protein Kinase C beta 2 (PKCβII) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...

US Patent US9518060 (2016)


BindingDB Entry DOI: 10.7270/Q2ZK5JPN
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))		BDBM533459
PNG
(US11220518, Ex. No. J6 | US11780853, Example J6)
Show SMILES C[C@H]1CN(C)C(C)(C)CN1C(=O)N1Cc2c(Nc3nc(C)ccc3F)n[nH]c2C1(C)C |r|
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 1.17n/an/an/an/an/an/an/an/a


TBA

Assay Description
A typical assay was carried out on a 96-well, clear microtiter plate in a Molecular Devices spectrophotometer for 20 minutes at 30° C. in 0.1 mL of a...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28S4T3T
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM286270
PNG
(US11220518, Ex. No. E2 | US11780853, Example E2 | ...)
Show SMILES CCc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CCCOC)C[C@@H]2C)C3(C)C)n1 |r|
Show InChI InChI=1S/C24H37FN8O2/c1-7-19-26-11-18(25)22(27-19)28-21-17-14-33(24(4,5)20(17)29-30-21)23(34)32-13-15(2)31(12-16(32)3)9-8-10-35-6/h11,15-16H,7-10,12-14H2,1-6H3,(H2,26,27,28,29,30)/t15-,16+/m1/s1
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 1.64n/an/an/an/an/an/a7.4n/a



PFIZER INC.

US Patent


Assay Description
Protein Kinase C beta 2 (PKCβII) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...

US Patent US9518060 (2016)


BindingDB Entry DOI: 10.7270/Q2ZK5JPN
More data for this
Ligand-Target Pair
Protein kinase C beta type Isoform 2


(Homo sapiens (Human))		BDBM286270
PNG
(US11220518, Ex. No. E2 | US11780853, Example E2 | ...)
Show SMILES CCc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CCCOC)C[C@@H]2C)C3(C)C)n1 |r|
Show InChI InChI=1S/C24H37FN8O2/c1-7-19-26-11-18(25)22(27-19)28-21-17-14-33(24(4,5)20(17)29-30-21)23(34)32-13-15(2)31(12-16(32)3)9-8-10-35-6/h11,15-16H,7-10,12-14H2,1-6H3,(H2,26,27,28,29,30)/t15-,16+/m1/s1
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 1.64n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))		BDBM286270
PNG
(US11220518, Ex. No. E2 | US11780853, Example E2 | ...)
Show SMILES CCc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CCCOC)C[C@@H]2C)C3(C)C)n1 |r|
Show InChI InChI=1S/C24H37FN8O2/c1-7-19-26-11-18(25)22(27-19)28-21-17-14-33(24(4,5)20(17)29-30-21)23(34)32-13-15(2)31(12-16(32)3)9-8-10-35-6/h11,15-16H,7-10,12-14H2,1-6H3,(H2,26,27,28,29,30)/t15-,16+/m1/s1
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TBA

Assay Description
A typical assay was carried out on a 96-well, clear microtiter plate in a Molecular Devices spectrophotometer for 20 minutes at 30° C. in 0.1 mL of a...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28S4T3T
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))		BDBM286377
PNG
(US11220518, Ex. No. L4 | US11780853, Example L4 | ...)
Show SMILES CN1CCC(F)(CC1)C(=O)N1Cc2c(Nc3nc(OCC(F)(F)F)ncc3F)n[nH]c2C1(C)C
Show InChI InChI=1S/C20H24F5N7O2/c1-18(2)13-11(9-32(18)16(33)19(22)4-6-31(3)7-5-19)14(30-29-13)27-15-12(21)8-26-17(28-15)34-10-20(23,24)25/h8H,4-7,9-10H2,1-3H3,(H2,26,27,28,29,30)
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 1.71n/an/an/an/an/an/an/an/a


TBA

Assay Description
A typical assay was carried out on a 96-well, clear microtiter plate in a Molecular Devices spectrophotometer for 20 minutes at 30° C. in 0.1 mL of a...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28S4T3T
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM286377
PNG
(US11220518, Ex. No. L4 | US11780853, Example L4 | ...)
Show SMILES CN1CCC(F)(CC1)C(=O)N1Cc2c(Nc3nc(OCC(F)(F)F)ncc3F)n[nH]c2C1(C)C
Show InChI InChI=1S/C20H24F5N7O2/c1-18(2)13-11(9-32(18)16(33)19(22)4-6-31(3)7-5-19)14(30-29-13)27-15-12(21)8-26-17(28-15)34-10-20(23,24)25/h8H,4-7,9-10H2,1-3H3,(H2,26,27,28,29,30)
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 1.71n/an/an/an/an/an/a7.4n/a



PFIZER INC.

US Patent


Assay Description
Protein Kinase C beta 2 (PKCβII) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...

US Patent US9518060 (2016)


BindingDB Entry DOI: 10.7270/Q2ZK5JPN
More data for this
Ligand-Target Pair
Protein kinase C beta type Isoform 2


(Homo sapiens (Human))		BDBM286377
PNG
(US11220518, Ex. No. L4 | US11780853, Example L4 | ...)
Show SMILES CN1CCC(F)(CC1)C(=O)N1Cc2c(Nc3nc(OCC(F)(F)F)ncc3F)n[nH]c2C1(C)C
Show InChI InChI=1S/C20H24F5N7O2/c1-18(2)13-11(9-32(18)16(33)19(22)4-6-31(3)7-5-19)14(30-29-13)27-15-12(21)8-26-17(28-15)34-10-20(23,24)25/h8H,4-7,9-10H2,1-3H3,(H2,26,27,28,29,30)
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 1.71n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))		BDBM533452
PNG
(US11220518, Ex. No. I1 | US11780853, Example I1)
Show SMILES CCCc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(C)(C)N(C)C[C@@H]2C)C3(C)C)n1 |r|
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 1.73n/an/an/an/an/an/an/an/a


TBA

Assay Description
A typical assay was carried out on a 96-well, clear microtiter plate in a Molecular Devices spectrophotometer for 20 minutes at 30° C. in 0.1 mL of a...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28S4T3T
More data for this
Ligand-Target Pair
Protein kinase C beta type Isoform 2


(Homo sapiens (Human))		BDBM533452
PNG
(US11220518, Ex. No. I1 | US11780853, Example I1)
Show SMILES CCCc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(C)(C)N(C)C[C@@H]2C)C3(C)C)n1 |r|
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 1.73n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM286310
PNG
(N-(5-fluoro-2-propylpyrimidin-4-yl)-6,6-dimethyl-5...)
Show SMILES C.CCCc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(C)(C)NC[C@@H]2C)C3(C)C)n1 |r|
Show InChI InChI=1S/C22H33FN8O.CH4/c1-7-8-16-24-10-15(23)19(26-16)27-18-14-11-31(22(5,6)17(14)28-29-18)20(32)30-12-21(3,4)25-9-13(30)2;/h10,13,25H,7-9,11-12H2,1-6H3,(H2,24,26,27,28,29);1H4/t13-;/m0./s1
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 1.73n/an/an/an/an/an/a7.4n/a



PFIZER INC.

US Patent


Assay Description
Protein Kinase C beta 2 (PKCβII) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...

US Patent US9518060 (2016)


BindingDB Entry DOI: 10.7270/Q2ZK5JPN
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2


(Homo sapiens (Human))		BDBM50193663
PNG
(CHEMBL3929944)
Show SMILES Cc1noc(C)c1-c1ccc2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl |(62.09,-40.24,;61.77,-41.75,;62.8,-42.89,;62.03,-44.22,;60.52,-43.9,;59.38,-44.93,;60.36,-42.37,;59.02,-41.6,;57.69,-42.37,;56.37,-41.6,;56.38,-40.08,;55.05,-39.32,;55.05,-37.78,;56.38,-37,;56.38,-35.46,;55.04,-34.69,;55.05,-33.15,;56.38,-32.38,;53.72,-32.38,;52.38,-33.14,;51.05,-32.37,;52.38,-34.68,;53.71,-35.46,;53.71,-37,;57.7,-37.78,;59.04,-37.01,;57.7,-39.32,;59.02,-40.08,;60.35,-39.31,)|
Show InChI InChI=1S/C22H22ClN3O3/c1-11-9-12(2)24-21(27)17(11)10-26-8-7-15-5-6-16(20(23)19(15)22(26)28)18-13(3)25-29-14(18)4/h5-6,9H,7-8,10H2,1-4H3,(H,24,27)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of wild-type EZH2 (unknown origin) expressed in baculovirus infected SF9 cells co-expressing SUZ12/EED/RbAp48 complex using HeLa cells der...

J Med Chem 59: 8306-25 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00515
BindingDB Entry DOI: 10.7270/Q2J1053B
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))		BDBM286260
PNG
(US11220518, Ex. No. B3 | US11780853, Example B3 | ...)
Show SMILES CCNc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)C3(C)C)n1 |r|
Show InChI InChI=1S/C21H32FN9O/c1-7-23-19-24-8-15(22)18(26-19)25-17-14-11-31(21(4,5)16(14)27-28-17)20(32)30-10-12(2)29(6)9-13(30)3/h8,12-13H,7,9-11H2,1-6H3,(H3,23,24,25,26,27,28)/t12-,13+/m1/s1
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 2.03n/an/an/an/an/an/an/an/a


TBA

Assay Description
A typical assay was carried out on a 96-well, clear microtiter plate in a Molecular Devices spectrophotometer for 20 minutes at 30° C. in 0.1 mL of a...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28S4T3T
More data for this
Ligand-Target Pair
Protein kinase C beta type Isoform 2


(Homo sapiens (Human))		BDBM286260
PNG
(US11220518, Ex. No. B3 | US11780853, Example B3 | ...)
Show SMILES CCNc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)C3(C)C)n1 |r|
Show InChI InChI=1S/C21H32FN9O/c1-7-23-19-24-8-15(22)18(26-19)25-17-14-11-31(21(4,5)16(14)27-28-17)20(32)30-10-12(2)29(6)9-13(30)3/h8,12-13H,7,9-11H2,1-6H3,(H3,23,24,25,26,27,28)/t12-,13+/m1/s1
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 2.03n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM286260
PNG
(US11220518, Ex. No. B3 | US11780853, Example B3 | ...)
Show SMILES CCNc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)C3(C)C)n1 |r|
Show InChI InChI=1S/C21H32FN9O/c1-7-23-19-24-8-15(22)18(26-19)25-17-14-11-31(21(4,5)16(14)27-28-17)20(32)30-10-12(2)29(6)9-13(30)3/h8,12-13H,7,9-11H2,1-6H3,(H3,23,24,25,26,27,28)/t12-,13+/m1/s1
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 2.03n/an/an/an/an/an/a7.4n/a



PFIZER INC.

US Patent


Assay Description
Protein Kinase C beta 2 (PKCβII) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...

US Patent US9518060 (2016)


BindingDB Entry DOI: 10.7270/Q2ZK5JPN
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM286327
PNG
(N-[5-fluoro-2-(methoxymethyl)pyrimidin-4-yl]-6,6-d...)
Show SMILES COCc1ncc(F)c(Nc2c[nH]c3c2CN(C(=O)C2CC(C)(C)N(C)C[C@@H]2C)C3(C)C)n1 |r|
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 2.10n/an/an/an/an/an/a7.4n/a



PFIZER INC.

US Patent


Assay Description
Protein Kinase C beta 2 (PKCβII) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...

US Patent US9518060 (2016)


BindingDB Entry DOI: 10.7270/Q2ZK5JPN
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))		BDBM533462
PNG
(US11220518, Ex. No. J9 | US11780853, Example J9)
Show SMILES COCc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(C)(C)N(C)C[C@@H]2C)C3(C)C)n1 |r|
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TBA

Assay Description
A typical assay was carried out on a 96-well, clear microtiter plate in a Molecular Devices spectrophotometer for 20 minutes at 30° C. in 0.1 mL of a...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28S4T3T
More data for this
Ligand-Target Pair
Protein kinase C beta type Isoform 2


(Homo sapiens (Human))		BDBM533462
PNG
(US11220518, Ex. No. J9 | US11780853, Example J9)
Show SMILES COCc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2CC(C)(C)N(C)C[C@@H]2C)C3(C)C)n1 |r|
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM286344
PNG
(US11220518, Ex. No. K2 | US11780853, Example K2 | ...)
Show SMILES CCOc1ccc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CC)C[C@@H]2C)C3(C)C)n1 |r|
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 2.11n/an/an/an/an/an/a7.4n/a



PFIZER INC.

US Patent


Assay Description
Protein Kinase C beta 2 (PKCβII) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...

US Patent US9518060 (2016)


BindingDB Entry DOI: 10.7270/Q2ZK5JPN
More data for this
Ligand-Target Pair
Protein kinase C beta type Isoform 2


(Homo sapiens (Human))		BDBM286344
PNG
(US11220518, Ex. No. K2 | US11780853, Example K2 | ...)
Show SMILES CCOc1ccc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CC)C[C@@H]2C)C3(C)C)n1 |r|
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))		BDBM286344
PNG
(US11220518, Ex. No. K2 | US11780853, Example K2 | ...)
Show SMILES CCOc1ccc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(CC)C[C@@H]2C)C3(C)C)n1 |r|
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TBA

Assay Description
A typical assay was carried out on a 96-well, clear microtiter plate in a Molecular Devices spectrophotometer for 20 minutes at 30° C. in 0.1 mL of a...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28S4T3T
More data for this
Ligand-Target Pair
Protein kinase C beta type Isoform 2


(Homo sapiens (Human))		BDBM286264
PNG
(US11220518, Ex. No. B6 | US11780853, Example B6 | ...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C)C(=O)N1Cc2c(Nc3ccnc(n3)C#N)n[nH]c2C1(C)C |r|
Show InChI InChI=1S/C20H27N9O/c1-12-10-28(13(2)9-27(12)5)19(30)29-11-14-17(20(29,3)4)25-26-18(14)24-15-6-7-22-16(8-21)23-15/h6-7,12-13H,9-11H2,1-5H3,(H2,22,23,24,25,26)/t12-,13+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
 2.43n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM286264
PNG
(US11220518, Ex. No. B6 | US11780853, Example B6 | ...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C)C(=O)N1Cc2c(Nc3ccnc(n3)C#N)n[nH]c2C1(C)C |r|
Show InChI InChI=1S/C20H27N9O/c1-12-10-28(13(2)9-27(12)5)19(30)29-11-14-17(20(29,3)4)25-26-18(14)24-15-6-7-22-16(8-21)23-15/h6-7,12-13H,9-11H2,1-5H3,(H2,22,23,24,25,26)/t12-,13+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 2.43n/an/an/an/an/an/a7.4n/a



PFIZER INC.

US Patent


Assay Description
Protein Kinase C beta 2 (PKCβII) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...

US Patent US9518060 (2016)


BindingDB Entry DOI: 10.7270/Q2ZK5JPN
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))		BDBM286264
PNG
(US11220518, Ex. No. B6 | US11780853, Example B6 | ...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C)C(=O)N1Cc2c(Nc3ccnc(n3)C#N)n[nH]c2C1(C)C |r|
Show InChI InChI=1S/C20H27N9O/c1-12-10-28(13(2)9-27(12)5)19(30)29-11-14-17(20(29,3)4)25-26-18(14)24-15-6-7-22-16(8-21)23-15/h6-7,12-13H,9-11H2,1-5H3,(H2,22,23,24,25,26)/t12-,13+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 2.43n/an/an/an/an/an/an/an/a


TBA

Assay Description
A typical assay was carried out on a 96-well, clear microtiter plate in a Molecular Devices spectrophotometer for 20 minutes at 30° C. in 0.1 mL of a...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28S4T3T
More data for this
Ligand-Target Pair
Protein kinase C beta type Isoform 2


(Homo sapiens (Human))		BDBM533441
PNG
(US11220518, Ex. No. H2 | US11780853, Example J3)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C)C(=O)N1Cc2c(Nc3nc(C)ncc3F)n[nH]c2C1(C)C |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
 2.63n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))		BDBM286316
PNG
(US9518060, Example J3)
Show SMILES CC1C[C@H](C)N(C[C@H]1C)C(=O)N1Cc2c(Nc3nc(C)ccc3F)n[nH]c2C1(C)C |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 2.63n/an/an/an/an/an/a7.4n/a



PFIZER INC.

US Patent


Assay Description
Protein Kinase C beta 2 (PKCβII) catalyzes the production of ADP from ATP that accompanies the phosphoryl transfer to the PKC Pseudosubstrate pe...

US Patent US9518060 (2016)


BindingDB Entry DOI: 10.7270/Q2ZK5JPN
More data for this
Ligand-Target Pair
Protein kinase C beta type


(Homo sapiens (Human))		BDBM533456
PNG
(US11220518, Ex. No. J3)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C)C(=O)N1Cc2c(Nc3nc(C)ccc3F)n[nH]c2C1(C)C |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
 2.63n/an/an/an/an/an/an/an/a


TBA

Assay Description
A typical assay was carried out on a 96-well, clear microtiter plate in a Molecular Devices spectrophotometer for 20 minutes at 30° C. in 0.1 mL of a...

Citation and Details

BindingDB Entry DOI: 10.7270/Q28S4T3T
More data for this
Ligand-Target Pair
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